data_AVS_bmrb_pdb_report_6073 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6073 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 6073 1 1 1 1 23 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6073 1 1 1 1 92 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 6073 1 1 1 1 23 PHE C 168.77 M 175.49 2.13 1.6054e-03 6073 1 1 1 1 23 PHE CA 53.08 . 58.25 2.73 5.8255e-02 6073 1 1 1 1 23 PHE CB 39.18 . 39.95 2.04 7.0584e-01 6073 1 1 1 1 23 PHE CD1 129.42 . 131.38 1.38 1.5552e-01 6073 1 1 1 1 23 PHE CE1 127.4 . 130.48 1.29 1.6959e-02 6073 1 1 1 1 23 PHE H 8.91 . 8.42 0.74 5.0787e-01 6073 1 1 1 1 23 PHE HA 5.40 . 4.62 0.58 1.7868e-01 6073 1 1 1 1 23 PHE HB2 2.87 . 2.99 0.37 7.4569e-01 6073 1 1 1 1 23 PHE HB3 2.30 . 2.97 0.38 7.7874e-02 6073 1 1 1 1 23 PHE HD1 6.63 . 6.91 0.82 7.3275e-01 6073 1 1 1 1 23 PHE HE1 6.85 . 6.95 0.82 9.0294e-01 6073 1 1 1 1 23 PHE N 118.16 . 120.69 4.18 5.4500e-01 6073 1 1 1 1 92 PRO C 170.92 M 176.7 1.69 6.2594e-04 6073 1 1 1 1 92 PRO CA 59.77 . 63.3 1.64 3.1363e-02 6073 1 1 1 1 92 PRO CB 29.12 . 31.81 1.54 8.0680e-02 6073 1 1 1 1 92 PRO HA 4.71 . 4.41 0.36 4.0466e-01 6073 1 1 1 1 92 PRO HB2 2.34 . 2.05 0.39 4.5712e-01 6073 1 1 1 1 92 PRO HB3 1.91 . 2.05 0.39 7.1961e-01 6073 1 1 1 1 92 PRO HD2 3.92 . 3.64 0.36 4.3670e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6073 1 1 1 1 23 PHE CYS 0.74 6073 1 1 1 1 23 PHE TYR 0.2 6073 1 1 1 1 23 PHE PHE 0.04 6073 1 1 1 1 92 PRO ILE 0.19 6073 1 1 1 1 92 PRO CYS 0.17 6073 1 1 1 1 92 PRO GLU 0.14 6073 1 1 1 1 92 PRO LYS 0.12 6073 1 1 1 1 92 PRO GLN 0.1 6073 1 1 1 1 92 PRO ARG 0.1 6073 1 1 1 1 92 PRO HIS 0.09 6073 1 1 1 1 92 PRO VAL 0.03 6073 1 1 1 1 92 PRO MET 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6073 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6073 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6073 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6073 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6073 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_